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31466-47-4 molecular structure
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2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine

ChemBase ID: 15133
Molecular Formular: C13H20N2O2
Molecular Mass: 236.3101
Monoisotopic Mass: 236.15247789
SMILES and InChIs

SMILES:
c1(C(N2CCOCC2)CN)ccc(cc1)OC
Canonical SMILES:
NCC(c1ccc(cc1)OC)N1CCOCC1
InChI:
InChI=1S/C13H20N2O2/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKey:
ZDQVUBJFLWWYQA-UHFFFAOYSA-N

Cite this record

CBID:15133 http://www.chembase.cn/molecule-15133.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine
IUPAC Traditional name
2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethanamine
Synonyms
2-(4-Methoxy-phenyl)-2-morpholin-4-yl-ethylamine
2-(4-methoxyphenyl)-2-morpholinoethanamine
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CAS Number
31466-47-4
MDL Number
MFCD01631946
PubChem SID
160978440
PubChem CID
3869401

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3869401 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1454191  LogD (pH = 7.4) -0.76821417 
Log P 0.80125415  Molar Refractivity 67.7584 cm3
Polarizability 26.907635 Å3 Polar Surface Area 47.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162 - 165°C expand Show data source
Hydrophobicity(logP)
1.04 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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